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MolSimToolkit.jl
  • Home
  • Simulation
  • Structural analyses
    • Hydrogen bonds
    • Distances and misc.
    • Dihedral angle analysis
    • Secondary structure
    • Structural alignment
  • Simulation statistics
    • Block averages
    • Replica exchange
  • Interactions
    • Coordination numbers
    • Molecular Minimum Distances
  • Time-dependent properties
    • Site occupancy
    • Intermittent correlation
    • Self-diffusion coefficient
  • System setup
  • Plotting style
  • Experimental
    • Simulation Reweighting
    • Cluster submission management
    • Transfer free energies
Version
  • Experimental features
  • Experimental features
GitHub

Experimental features

The features in this section are experimental, meaning that they are under active development, with possible early bugs and unstable interfaces. The semantic version of the package is not compromised to the changes of these features.

  • Dihedral angle analysis
  • Simulation reweighting
  • Cluster submission management
  • m-value (protein transfer free energy) calculator

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